2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide

C15H10BrClN2OS — CID 16527847

IUPAC2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H10BrClN2OS/c16-11-2-5-13(6-3-11)21-9-15(20)19-12-4-1-10(8-18)14(17)7-12/h1-7H,9H2,(H,19,20)
InChIKeyCCBFNOCYJQAKJR-UHFFFAOYSA-N
MW381.68 g/mol
LogP4.70
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 16527847) has the molecular formula C15H10BrClN2OS and a molecular weight of 381.68 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID16527847
Molecular FormulaC15H10BrClN2OS
Molecular Weight381.68 g/mol
Exact Mass379.94
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H10BrClN2OS/c16-11-2-5-13(6-3-11)21-9-15(20)19-12-4-1-10(8-18)14(17)7-12/h1-7H,9H2,(H,19,20)
InChIKeyCCBFNOCYJQAKJR-UHFFFAOYSA-N
XLogP4.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.68
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 2227981
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] carbamimidothioate
CID 60641836
N-(3-chloro-4-cyanophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 65417290
2-amino-4-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 60920200
N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 25372320
N-(3-chloro-4-cyanophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7907058
N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 3518128
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 18271373
N-(3-chloro-4-cyanophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675538
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 3427027
N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 43377361

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide (CID 16527847) is 2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is CCBFNOCYJQAKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2OS/c16-11-2-5-13(6-3-11)21-9-15(20)19-12-4-1-10(8-18)14(17)7-12/h1-7H,9H2,(H,19,20).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide has a molecular weight of 381.68 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 16527847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).